N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide

C20H22N4O2 — CID 108985537

IUPACN-[2-(1H-indol-3-yl)ethyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCN(CCc1ccncc1)C(=O)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H22N4O2/c1-24(13-9-15-6-10-21-11-7-15)20(26)19(25)22-12-8-16-14-23-18-5-3-2-4-17(16)18/h2-7,10-11,14,23H,8-9,12-13H2,1H3,(H,22,25)
InChIKeyCLBFIZPLYSOVQV-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.92
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide

N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide (PubChem CID 108985537) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
PubChem CID108985537
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCN(CCc1ccncc1)C(=O)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H22N4O2/c1-24(13-9-15-6-10-21-11-7-15)20(26)19(25)22-12-8-16-14-23-18-5-3-2-4-17(16)18/h2-7,10-11,14,23H,8-9,12-13H2,1H3,(H,22,25)
InChIKeyCLBFIZPLYSOVQV-UHFFFAOYSA-N
XLogP1.92
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide
CID 108528550
2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109173085
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide
CID 44587808
ethane-1,2-diamine;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;platinum
CID 142609872
2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 43429962
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113121768
1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea
CID 110749017
1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea
CID 8669325
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
N'-acetyl-N'-(3-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108526611
N'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108983935
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 82087538

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide (CID 108985537) is N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide is CN(CCc1ccncc1)C(=O)C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide?
The InChIKey is CLBFIZPLYSOVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-24(13-9-15-6-10-21-11-7-15)20(26)19(25)22-12-8-16-14-23-18-5-3-2-4-17(16)18/h2-7,10-11,14,23H,8-9,12-13H2,1H3,(H,22,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide?
N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide has a molecular weight of 350.42 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide is sourced from PubChem (CID 108985537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).